Materials Data on WS9Cl4 by Materials Project
WS9Cl4 crystallizes in the tetragonal P-42_1c space group. The structure is one-dimensional and consists of four WS9Cl4 ribbons oriented in the (0, 0, 1) direction. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S+0.22- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are one shorter (2.30 Å) and three longer (2.31 Å) W–Cl bond lengths. There are nine inequivalent S+0.22- sites. In the first S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the third S+0.22- site, S+0.22- is bonded in a distorted single-bond geometry to one W6+ atom. In the fourth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.06 Å. In the fifth S+0.22- site, S+0.22- is bonded in a 3-coordinate geometry to two S+0.22- and one Cl1- atom. The S–S bond length is 2.07 Å. The S–Cl bond length is 3.64 Å. In the sixth S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. The S–S bond length is 2.07 Å. In the seventh S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.06 Å. In the eighth S+0.22- site, S+0.22- is bonded in a 2-coordinate geometry to two S+0.22- and two Cl1- atoms. There are one shorter (3.75 Å) and one longer (4.00 Å) S–Cl bond lengths. In the ninth S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one S+0.22- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one S+0.22- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one S+0.22- atom.